Cas no 544659-42-9 (1H-Pyrazole,1-(1-oxobutyl)-(9CI))
544659-42-9 structure
Product Name:1H-Pyrazole,1-(1-oxobutyl)-(9CI)
CAS No:544659-42-9
MF:C7H10N2O
MW:138.167101383209
CID:1017571
PubChem ID:4534683
Update Time:2025-04-20
1H-Pyrazole,1-(1-oxobutyl)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole,1-(1-oxobutyl)-(9CI)
- 1-(1H-Pyrazol-1-yl)-1-butanone
- 1-(1H-Pyrazol-1-yl)butan-1-one
- 544659-42-9
- DB-322992
- AKOS003864458
- 1H-PYRAZOLE, 1-(1-OXOBUTYL)-
- SCHEMBL9101772
-
- Inchi： 1S/C7H10N2O/c1-2-4-7(10)9-6-3-5-8-9/h3,5-6H,2,4H2,1H3
- InChI Key： SLLHUNDROCSOIS-UHFFFAOYSA-N
- SMILES： O=C(CCC)N1C=CC=N1
Computed Properties
- Exact Mass: 138.079312947g/mol
- Monoisotopic Mass: 138.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 125
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 34.9?2
1H-Pyrazole,1-(1-oxobutyl)-(9CI) Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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